3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid

C15H15NO5 — CID 71306308

IUPAC3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(C(O)c2cccnc2C(=O)O)c1OC
InChIInChI=1S/C15H15NO5/c1-20-11-7-3-5-10(14(11)21-2)13(17)9-6-4-8-16-12(9)15(18)19/h3-8,13,17H,1-2H3,(H,18,19)
InChIKeyLGEJNLSOKNVDPN-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.88
Rot. Bonds5

About 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid

3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid (PubChem CID 71306308) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
PubChem CID71306308
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(C(O)c2cccnc2C(=O)O)c1OC
InChIInChI=1S/C15H15NO5/c1-20-11-7-3-5-10(14(11)21-2)13(17)9-6-4-8-16-12(9)15(18)19/h3-8,13,17H,1-2H3,(H,18,19)
InChIKeyLGEJNLSOKNVDPN-UHFFFAOYSA-N
XLogP1.88
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2870378
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
3-quinolin-5-yloxypyrazine-2-carboxylic acid
CID 103045923
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid (CID 71306308) is 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid is COc1cccc(C(O)c2cccnc2C(=O)O)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid?
The InChIKey is LGEJNLSOKNVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-11-7-3-5-10(14(11)21-2)13(17)9-6-4-8-16-12(9)15(18)19/h3-8,13,17H,1-2H3,(H,18,19).
What are the key properties of 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid?
3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 71306308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).